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Compound Detail

CHEMBL5766641

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CN1CCC2(C1)CN(S(=O)(=O)c1ccc(CNC(=O)c3cc4ccncc4o3)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5766641
Phase Preclinical
Structure Type MOL
InChI Key YKRIOUVUXOSQFK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
2.08
ALogP
6
HBA
1
HBD
95.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O4S
MW 440.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.29

Activity Summary

IC50 2 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.55 8.55 2.8 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 2.83 nM 8.55 Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... -
Nicotinamide phosphoribosyltransferase IC50 = 2.83 nM 8.55 Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... -

Data from ChEMBL 36 via Core Engine